3-[2-(2-diethylaminoethyloxy)phenyl]-1-pyridin-4-yl-prop-2-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[2-(2-diethylaminoethyloxy)phenyl]-1-pyridin-4-yl-prop-2-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-[2-(2-diethylaminoethyloxy)phenyl]-1-(4-pyridyl)prop-2-en-1-one CAS Name: 3-[2-(2-diethylaminoethyloxy)phenyl]-1-pyridin-4-yl-2-propen-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[2-(2-diethylaminoethyloxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-[2-(2-diethylaminoethyloxy)phenyl]-1-(4-pyridyl)prop-2-en-1-one Formula: C26H32N2O9 MolecularWeight: 516.54028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC=C1C=CC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC=C1C=CC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2.C6H8O7/c1-3-22(4-2)15-16-24-20-8-6-5-7-18(20)9-10-19(23)17-11-13-21-14-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-14H,3-4,15-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)